Details of Natural Product (NP)

General Information of Natural Product (ID: NP0733)
  Natural Product Name
Butyl 2-Methylbutyrate
  Synonyms
Butyl 2-methylbutyrate; Butyl 2-methylbutanoate; 15706-73-7; Butanoic acid, 2-methyl-, butyl ester; n-butyl 2-methylbutyrate; butyl 2-methyl butyrate; n-Butyl-2-methylbutyrate; alpha-Butyl 2-methylbutylate; Butyric acid, 2-methyl-, butyl ester; butyl 2-methyl-butanoate; n-Butyl 2-methyl butyrate; CHEBI:88964; WE(4:0/4:0(2Me)); FEMA No. 3393; n-Butyl-2-methylbutyrate (natural); EINECS 239-798-2; BUTYL-2-METHYLBUTYRATE; AI3-33622; 2-Methylbutyric acid butyl ester; utyl 2-methylbutyrate; Fema3393; DSSTox_CID_27046; DSSTox_RID_82067; DSSTox_GSID_47046; Poly(butyl acrylate) solution; 2-Methyl-butanoicacibutylester; SCHEMBL310458; CHEMBL3186269; DTXSID4047046; FEMA 3393; Tox21_302310; Butyl 2-methylbutyrate, >=98.0%; LMFA07010507; MFCD00042902; AKOS015914011; Butyl 2-methylbutyrate, >=97%, FG; NCGC00256298-01; AS-77427; Butyl 2-methylbutyrate, analytical standard; CAS-15706-73-7; FT-0613026; D95649; Ethyl (2R,3R)-2,3-epoxy-3-methyl propanoate; Butyl 2-methylbutyrate, natural (US), >=98%, FG; J-009374; J-640419; J-800450; Q27161059
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  Formula C9H18O2
  Weight 158.24
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3
  InChI Key OTKQNSSMCDLVQV-UHFFFAOYSA-N
  Isomeric SMILES CCCCOC(=O)C(C)CC
  Canonical SMILES CCCCOC(=O)C(C)CC
  External Links PubChem ID 61812
CAS ID 15706-73-7
NPASS ID NPC35371
CHEMBL ID CHEMBL3186269
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Artemisia arborescens
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
Fresh plant samples of A. arborescens growing in Sicily were collected from five different sites: Petru (N 37° 59′ 46″, E 13° 38′ 53″, 69 m); Diga (N 37° 57′ 23″, E 13° 39′ 05″, 198 m), Felice (N 37° 56′ 44″, E 13° 36′ 38″, 484 m), Torto (N 37° 57′ 53″, E 13° 46′ 30″, 55 m) and Artese (N 37° 58′ 28″, E 13° 44′ 13″, 10 m) in January 2010.
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               Factor Function
Forty-three compounds, accounting for more than 92% of the oil, were identified. Monoterpene fraction with the exception of Petru population was higher than the sesquiterpene fraction. beta-Thujone (20.5-55.9%), chamazulene (15.2-49.4%), camphor (1.3-10.7%) and germacrene D (2.3-3.4%) were the main compounds.
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               Factor Part Location NP Content
 
Locality: Petru, Sicily
 Aerial parts Sicily
NP Content: <0.1 %
 
Locality: Diga, Sicily
 Aerial parts Sicily
NP Content: 0.3 %
 
Locality: Felice, Sicily
 Aerial parts Sicily
NP Content: 0.9 %
 
Locality: Venti, Sicily
 Aerial parts Sicily
NP Content: 0.8 %
 
Locality: Arte, Sicily
 Aerial parts Sicily
NP Content: 0.6 %
References
1 Artemisia arborescens L.: essential oil composition and effects of plant growth stage in some genotypes from Sicily